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The Adam optimizer, often used in Machine Learning for neural network training, corresponds to an underlying ordinary differential equation (ODE) in the limit of very small learning rates. This work shows that the classical Adam algorithm is a first order implicit-explicit (IMEX) Euler discretization of the underlying ODE. Employing the time discretization point of view, we propose new extensions of the Adam scheme obtained by using higher order IMEX methods to solve the ODE. Based on this approach, we derive a new optimization algorithm for neural network training that performs better than classical Adam on several regression and classification problems.

While graph convolutional networks show great practical promises, the theoretical understanding of their generalization properties as a function of the number of samples is still in its infancy compared to the more broadly studied case of supervised fully connected neural networks. In this article, we predict the performances of a single-layer graph convolutional network (GCN) trained on data produced by attributed stochastic block models (SBMs) in the high-dimensional limit. Previously, only ridge regression on contextual-SBM (CSBM) has been considered in Shi et al. 2022; we generalize the analysis to arbitrary convex loss and regularization for the CSBM and add the analysis for another data model, the neural-prior SBM. We also study the high signal-to-noise ratio limit, detail the convergence rates of the GCN and show that, while consistent, it does not reach the Bayes-optimal rate for any of the considered cases.

Lattices are architected metamaterials whose properties strongly depend on their geometrical design. The analogy between lattices and graphs enables the use of graph neural networks (GNNs) as a faster surrogate model compared to traditional methods such as finite element modelling. In this work, we generate a big dataset of structure-property relationships for strut-based lattices. The dataset is made available to the community which can fuel the development of methods anchored in physical principles for the fitting of fourth-order tensors. In addition, we present a higher-order GNN model trained on this dataset. The key features of the model are (i) SE(3) equivariance, and (ii) consistency with the thermodynamic law of conservation of energy. We compare the model to non-equivariant models based on a number of error metrics and demonstrate its benefits in terms of predictive performance and reduced training requirements. Finally, we demonstrate an example application of the model to an architected material design task. The methods which we developed are applicable to fourth-order tensors beyond elasticity such as piezo-optical tensor etc.

We present a novel framework for the development of fourth-order lattice Boltzmann schemes to tackle multidimensional nonlinear systems of conservation laws. Our numerical schemes preserve two fundamental characteristics inherent in classical lattice Boltzmann methods: a local relaxation phase and a transport phase composed of elementary shifts on a Cartesian grid. Achieving fourth-order accuracy is accomplished through the composition of second-order time-symmetric basic schemes utilizing rational weights. This enables the representation of the transport phase in terms of elementary shifts. Introducing local variations in the relaxation parameter during each stage of relaxation ensures the entropic nature of the schemes. This not only enhances stability in the long-time limit but also maintains fourth-order accuracy. To validate our approach, we conduct comprehensive testing on scalar equations and systems in both one and two spatial dimensions.

In this work we employ importance sampling (IS) techniques to track a small over-threshold probability of a running maximum associated with the solution of a stochastic differential equation (SDE) within the framework of ensemble Kalman filtering (EnKF). Between two observation times of the EnKF, we propose to use IS with respect to the initial condition of the SDE, IS with respect to the Wiener process via a stochastic optimal control formulation, and combined IS with respect to both initial condition and Wiener process. Both IS strategies require the approximation of the solution of Kolmogorov Backward equation (KBE) with boundary conditions. In multidimensional settings, we employ a Markovian projection dimension reduction technique to obtain an approximation of the solution of the KBE by just solving a one dimensional PDE. The proposed ideas are tested on two illustrative examples: Double Well SDE and Langevin dynamics, and showcase a significant variance reduction compared to the standard Monte Carlo method and another sampling-based IS technique, namely, multilevel cross entropy.

Mendelian randomization uses genetic variants as instrumental variables to make causal inferences about the effects of modifiable risk factors on diseases from observational data. One of the major challenges in Mendelian randomization is that many genetic variants are only modestly or even weakly associated with the risk factor of interest, a setting known as many weak instruments. Many existing methods, such as the popular inverse-variance weighted (IVW) method, could be biased when the instrument strength is weak. To address this issue, the debiased IVW (dIVW) estimator, which is shown to be robust to many weak instruments, was recently proposed. However, this estimator still has non-ignorable bias when the effective sample size is small. In this paper, we propose a modified debiased IVW (mdIVW) estimator by multiplying a modification factor to the original dIVW estimator. After this simple correction, we show that the bias of the mdIVW estimator converges to zero at a faster rate than that of the dIVW estimator under some regularity conditions. Moreover, the mdIVW estimator has smaller variance than the dIVW estimator.We further extend the proposed method to account for the presence of instrumental variable selection and balanced horizontal pleiotropy. We demonstrate the improvement of the mdIVW estimator over the dIVW estimator through extensive simulation studies and real data analysis.

To succeed in their objectives, groups of individuals must be able to make quick and accurate collective decisions on the best option among a set of alternatives with different qualities. Group-living animals aim to do that all the time. Plants and fungi are thought to do so too. Swarms of autonomous robots can also be programmed to make best-of-n decisions for solving tasks collaboratively. Ultimately, humans critically need it and so many times they should be better at it. Thanks to their mathematical tractability, simple models like the voter model and the local majority rule model have proven useful to describe the dynamics of such collective decision-making processes. To reach a consensus, individuals change their opinion by interacting with neighbors in their social network. At least among animals and robots, options with a better quality are exchanged more often and therefore spread faster than lower-quality options, leading to the collective selection of the best option. With our work, we study the impact of individuals making errors in pooling others' opinions caused, for example, by the need to reduce the cognitive load. Our analysis is grounded on the introduction of a model that generalizes the two existing models (local majority rule and voter model), showing a speed-accuracy trade-off regulated by the cognitive effort of individuals. We also investigate the impact of the interaction network topology on the collective dynamics. To do so, we extend our model and, by using the heterogeneous mean-field approach, we show the presence of another speed-accuracy trade-off regulated by network connectivity. An interesting result is that reduced network connectivity corresponds to an increase in collective decision accuracy.

Evaluating the expected information gain (EIG) is a critical task in many areas of computational science and statistics, necessitating the approximation of nested integrals. Available techniques for this problem based on quasi-Monte Carlo (QMC) methods have focused on enhancing the efficiency of either the inner or outer integral approximation. In this work, we introduce a novel approach that extends the scope of these efforts to address inner and outer expectations simultaneously. Leveraging the principles of Owen's scrambling of digital nets, we develop a randomized QMC (rQMC) method that improves the convergence behavior of the approximation of nested integrals. We also indicate how to combine this methodology with importance sampling to address a measure concentration arising in the inner integral. Our method capitalizes on the unique structure of nested expectations to offer a more efficient approximation mechanism. By incorporating Owen's scrambling techniques, we handle integrands exhibiting infinite variation in the Hardy--Krause sense, paving the way for theoretically sound error estimates. As the main contribution of this work, we derive asymptotic error bounds for the bias and variance of our estimator, along with regularity conditions under which these error bounds can be attained. In addition, we provide nearly optimal sample sizes for the rQMC approximations, which are helpful for the actual numerical implementations. Moreover, we verify the quality of our estimator through numerical experiments in the context of EIG estimation. Specifically, we compare the computational efficiency of our rQMC method against standard nested MC integration across two case studies: one in thermo-mechanics and the other in pharmacokinetics. These examples highlight our approach's computational savings and enhanced applicability.

This paper focuses on few-shot Sound Event Detection (SED), which aims to automatically recognize and classify sound events with limited samples. However, prevailing methods methods in few-shot SED predominantly rely on segment-level predictions, which often providing detailed, fine-grained predictions, particularly for events of brief duration. Although frame-level prediction strategies have been proposed to overcome these limitations, these strategies commonly face difficulties with prediction truncation caused by background noise. To alleviate this issue, we introduces an innovative multitask frame-level SED framework. In addition, we introduce TimeFilterAug, a linear timing mask for data augmentation, to increase the model's robustness and adaptability to diverse acoustic environments. The proposed method achieves a F-score of 63.8%, securing the 1st rank in the few-shot bioacoustic event detection category of the Detection and Classification of Acoustic Scenes and Events Challenge 2023.

This paper develops an in-depth treatment concerning the problem of approximating the Gaussian smoothing and Gaussian derivative computations in scale-space theory for application on discrete data. With close connections to previous axiomatic treatments of continuous and discrete scale-space theory, we consider three main ways discretizing these scale-space operations in terms of explicit discrete convolutions, based on either (i) sampling the Gaussian kernels and the Gaussian derivative kernels, (ii) locally integrating the Gaussian kernels and the Gaussian derivative kernels over each pixel support region and (iii) basing the scale-space analysis on the discrete analogue of the Gaussian kernel, and then computing derivative approximations by applying small-support central difference operators to the spatially smoothed image data. We study the properties of these three main discretization methods both theoretically and experimentally, and characterize their performance by quantitative measures, including the results they give rise to with respect to the task of scale selection, investigated for four different use cases, and with emphasis on the behaviour at fine scales. The results show that the sampled Gaussian kernels and derivatives as well as the integrated Gaussian kernels and derivatives perform very poorly at very fine scales. At very fine scales, the discrete analogue of the Gaussian kernel with its corresponding discrete derivative approximations performs substantially better. The sampled Gaussian kernel and the sampled Gaussian derivatives do, on the other hand, lead to numerically very good approximations of the corresponding continuous results, when the scale parameter is sufficiently large, in the experiments presented in the paper, when the scale parameter is greater than a value of about 1, in units of the grid spacing.